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Journal of Molecular Structure: THEOCHEM

Volumn 580, Issue 1-3, 2002, Pages 183-192

Ab initio and density functional theory studies of peri- and regioselectivity in 1,3-dipolar cycloaddition reaction of 1,2-diazepine with nitrile oxide

(3) Jalal, R a El Messaoudi, M b Esseffar, M b

a CADI AYYAD UNIVERSITY (Morocco)

b FACULTÉ DES SCIENCES SEMLALIA (Morocco)

Author keywords

1,2 Diazepine; 1,3 Dipolar cycloaddition; Ab initio; DFT; Nitrile oxide; Regio and periselectivity; Structure

Indexed keywords

1,2 DIAZEPINE DERIVATIVE; DIAZEPINE DERIVATIVE; NITRILE; NITRILE OXIDE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ACCURACY; CALCULATION; CHEMICAL REACTION; CONFERENCE PAPER; CYCLOADDITION; GEOMETRY; STEREOCHEMISTRY; THEORY;

EID: 0037192660 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(01)00612-1 Document Type: Conference Paper

Times cited : (12)

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